N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide

C17H21ClN2O2 — CID 2222226

IUPACN'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O2/c18-15-9-5-4-8-14(15)12-20-17(22)16(21)19-11-10-13-6-2-1-3-7-13/h4-6,8-9H,1-3,7,10-12H2,(H,19,21)(H,20,22)
InChIKeyVXXBQNPNWAKORA-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.96
Rot. Bonds5

About N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide

N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide (PubChem CID 2222226) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide
PubChem CID2222226
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O2/c18-15-9-5-4-8-14(15)12-20-17(22)16(21)19-11-10-13-6-2-1-3-7-13/h4-6,8-9H,1-3,7,10-12H2,(H,19,21)(H,20,22)
InChIKeyVXXBQNPNWAKORA-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide (CID 2222226) is N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide is O=C(NCCC1=CCCCC1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The InChIKey is VXXBQNPNWAKORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-15-9-5-4-8-14(15)12-20-17(22)16(21)19-11-10-13-6-2-1-3-7-13/h4-6,8-9H,1-3,7,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide has a molecular weight of 320.82 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide is sourced from PubChem (CID 2222226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).